1-[1-(3,3-difluorocyclobutyl)pyrazol-4-yl]-N-methylmethanimine

C9H11F2N3 — CID 170360971

IUPAC1-[1-(3,3-difluorocyclobutyl)pyrazol-4-yl]-N-methylmethanimine
SMILESC/N=C/c1cnn(C2CC(F)(F)C2)c1
InChIInChI=1S/C9H11F2N3/c1-12-4-7-5-13-14(6-7)8-2-9(10,11)3-8/h4-6,8H,2-3H2,1H3/b12-4+
InChIKeyMZPCXAKPGGVNOM-UUILKARUSA-N
MW199.20 g/mol
LogP1.90
Rot. Bonds2

About 1-[1-(3,3-difluorocyclobutyl)pyrazol-4-yl]-N-methylmethanimine

1-[1-(3,3-difluorocyclobutyl)pyrazol-4-yl]-N-methylmethanimine (PubChem CID 170360971) has the molecular formula C9H11F2N3 and a molecular weight of 199.20 g/mol. Its IUPAC name is 1-[1-(3,3-difluorocyclobutyl)pyrazol-4-yl]-N-methylmethanimine.

Molecular Properties

Compound Name1-[1-(3,3-difluorocyclobutyl)pyrazol-4-yl]-N-methylmethanimine
PubChem CID170360971
Molecular FormulaC9H11F2N3
Molecular Weight199.20 g/mol
Exact Mass199.09
IUPAC Name1-[1-(3,3-difluorocyclobutyl)pyrazol-4-yl]-N-methylmethanimine
SMILESC/N=C/c1cnn(C2CC(F)(F)C2)c1
InChIInChI=1S/C9H11F2N3/c1-12-4-7-5-13-14(6-7)8-2-9(10,11)3-8/h4-6,8H,2-3H2,1H3/b12-4+
InChIKeyMZPCXAKPGGVNOM-UUILKARUSA-N
XLogP1.90
TPSA30.18 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.20
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(3,3-difluorocyclobutyl)pyrazol-4-yl]-N-methylmethanimine?
The IUPAC name of 1-[1-(3,3-difluorocyclobutyl)pyrazol-4-yl]-N-methylmethanimine (CID 170360971) is 1-[1-(3,3-difluorocyclobutyl)pyrazol-4-yl]-N-methylmethanimine.
What is the SMILES notation for 1-[1-(3,3-difluorocyclobutyl)pyrazol-4-yl]-N-methylmethanimine?
The canonical SMILES for 1-[1-(3,3-difluorocyclobutyl)pyrazol-4-yl]-N-methylmethanimine is C/N=C/c1cnn(C2CC(F)(F)C2)c1.
What is the InChIKey of 1-[1-(3,3-difluorocyclobutyl)pyrazol-4-yl]-N-methylmethanimine?
The InChIKey is MZPCXAKPGGVNOM-UUILKARUSA-N. The full InChI is InChI=1S/C9H11F2N3/c1-12-4-7-5-13-14(6-7)8-2-9(10,11)3-8/h4-6,8H,2-3H2,1H3/b12-4+.
What are the key properties of 1-[1-(3,3-difluorocyclobutyl)pyrazol-4-yl]-N-methylmethanimine?
1-[1-(3,3-difluorocyclobutyl)pyrazol-4-yl]-N-methylmethanimine has a molecular weight of 199.20 g/mol, XLogP of 1.90, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3,3-difluorocyclobutyl)pyrazol-4-yl]-N-methylmethanimine is sourced from PubChem (CID 170360971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).